1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone

C12H19N3OS — CID 79313458

IUPAC1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)CC2CCCN2C)s1
InChIInChI=1S/C12H19N3OS/c1-9(16)11-7-13-12(17-11)15(3)8-10-5-4-6-14(10)2/h7,10H,4-6,8H2,1-3H3
InChIKeyFWBBCYQEYRVVIO-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.88
Rot. Bonds4

About 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone

1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 79313458) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
PubChem CID79313458
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)CC2CCCN2C)s1
InChIInChI=1S/C12H19N3OS/c1-9(16)11-7-13-12(17-11)15(3)8-10-5-4-6-14(10)2/h7,10H,4-6,8H2,1-3H3
InChIKeyFWBBCYQEYRVVIO-UHFFFAOYSA-N
XLogP1.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate
CID 80572769
5-acetyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697867
1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone
CID 63727395
5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 116649014
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090768
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79318218
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-5-nitropyridine-3-carboxylic acid
CID 81447197
2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 118959240
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671275
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79315133
2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 128852399

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone (CID 79313458) is 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)CC2CCCN2C)s1.
What is the InChIKey of 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is FWBBCYQEYRVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(16)11-7-13-12(17-11)15(3)8-10-5-4-6-14(10)2/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 253.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 79313458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).